N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide

C17H26NO6P — CID 142721503

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide
SMILESCC(C)OP(=O)(OC(C)C)C(C)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26NO6P/c1-11(2)23-25(20,24-12(3)4)13(5)17(19)18-14-6-7-15-16(10-14)22-9-8-21-15/h6-7,10-13H,8-9H2,1-5H3,(H,18,19)
InChIKeyCFXJXVYMNLJMSW-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.83
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide (PubChem CID 142721503) has the molecular formula C17H26NO6P and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide
PubChem CID142721503
Molecular FormulaC17H26NO6P
Molecular Weight371.37 g/mol
Exact Mass371.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide
SMILESCC(C)OP(=O)(OC(C)C)C(C)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H26NO6P/c1-11(2)23-25(20,24-12(3)4)13(5)17(19)18-14-6-7-15-16(10-14)22-9-8-21-15/h6-7,10-13H,8-9H2,1-5H3,(H,18,19)
InChIKeyCFXJXVYMNLJMSW-UHFFFAOYSA-N
XLogP3.83
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 8891402
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893768
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-2-phenylacetamide
CID 1076352
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide (CID 142721503) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide is CC(C)OP(=O)(OC(C)C)C(C)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide?
The InChIKey is CFXJXVYMNLJMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NO6P/c1-11(2)23-25(20,24-12(3)4)13(5)17(19)18-14-6-7-15-16(10-14)22-9-8-21-15/h6-7,10-13H,8-9H2,1-5H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide has a molecular weight of 371.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-di(propan-2-yloxy)phosphorylpropanamide is sourced from PubChem (CID 142721503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).